CID 21584941

Bicyclo(2.2.1)hept-2-ene, 5-decyl-

Structural Information

Molecular Formula
C17H30
SMILES
CCCCCCCCCCC1CC2CC1C=C2
InChI
InChI=1S/C17H30/c1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15/h11-12,15-17H,2-10,13-14H2,1H3
InChIKey
VTWPBVSOSWNXAX-UHFFFAOYSA-N
Compound name
5-decylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2166
Patents

234.23476 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 165.7
[M+Na]+ 257.22398 170.2
[M-H]- 233.22748 167.2
[M+NH4]+ 252.26858 188.9
[M+K]+ 273.19792 166.1
[M+H-H2O]+ 217.23202 160.1
[M+HCOO]- 279.23296 185.7
[M+CH3COO]- 293.24861 196.5
[M+Na-2H]- 255.20943 165.7
[M]+ 234.23421 168.0
[M]- 234.23531 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe